CID 118980

1-naphthalenesulfonyl chloride, 3-diazo-3,4-dihydro-4-oxo-

Structural Information

Molecular Formula
C10H6ClN2O3S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)[N+]#N)S(=O)(=O)Cl
InChI
InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-5-8(13-12)10(14)7-4-2-1-3-6(7)9/h1-5H/p+1
InChIKey
HAGVXVSNIARVIZ-UHFFFAOYSA-O
Compound name
4-chlorosulfonyl-1-hydroxynaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

268.97876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.986036 164.6
[M+Na]+ 291.967978 177.7
[M-H]- 267.971484 170.0
[M+NH4]+ 287.012583 181.3
[M+K]+ 307.941918 167.2
[M+H-H2O]+ 251.976020 156.2
[M+HCOO]- 313.976961 175.9
[M+CH3COO]- 327.992611 198.4
[M+Na-2H]- 289.953426 172.1
[M]+ 268.97821142 163.5
[M]- 268.97930858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.